Desacetyl-alacepril
(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
Also Known As: Desacetyl-alacepril|Deacetylalacepril|DESACETYLALACEPRIL|DU-1227|DU 1227|(S)-2-[(S)-1-((S)-3-Mercapto-2-methylpropanoyl)pyrrolidine-2-carboxamido]-3-phenylpropanoic Acid|((S)-3-Mercapto-2-methylpropanoyl)-L-prolyl-L-phenylalanine|L-Phenylalanine, N-(1-(3-mercapto-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-|1-[(2S)-2-Methyl-3-sulfanylpropanoyl]-L-prolyl-L-phenylalanine|(2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid|1-((2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL)-L-PROLYL-L-PHENYLALANINE|N-[1-[(S)-3-Mercapto-2-methyl-1-oxopropyl]-L-prolyl]-L-phenylalanine|L-PHENYLALANINE, 1-((2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL)-L-PROLYL-|(2S)-2-{[(2S)-1-[(2S)-2-METHYL-3-SULFANYLPROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-PHENYLPROPANOIC ACID
| Molecular Formula | C18H24N2O4S |
|---|---|
| Molecular Weight | 364.1457 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.1457 |
| Monoisotopic Mass | 364.1457 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 74259-08-8 |
|---|---|
| SMILES | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O |
| InChIKey | GICPPYOSOHKZPY-SNPRPXQTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desacetyl-alacepril (CAS 74259-08-8), with molecular formula C18H24N2O4S and molecular weight 364.1457 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid.
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